2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C24H20N4O — CID 17437782

IUPAC2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H20N4O/c25-22(29)21-14-17-10-4-5-11-18(17)15-28(21)24-19-12-6-7-13-20(19)26-23(27-24)16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H2,25,29)
InChIKeyITVXAOHHANAKFT-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.71
Rot. Bonds3

About 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 17437782) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID17437782
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H20N4O/c25-22(29)21-14-17-10-4-5-11-18(17)15-28(21)24-19-12-6-7-13-20(19)26-23(27-24)16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H2,25,29)
InChIKeyITVXAOHHANAKFT-UHFFFAOYSA-N
XLogP3.71
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40799745
(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
(3R)-2-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 133278815
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
(2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 10286524
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59118666
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
CID 146046335
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
(3S)-2-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 70166082
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 17437782) is 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)C1Cc2ccccc2CN1c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is ITVXAOHHANAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c25-22(29)21-14-17-10-4-5-11-18(17)15-28(21)24-19-12-6-7-13-20(19)26-23(27-24)16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H2,25,29).
What are the key properties of 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 17437782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).